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3-Allyl-6-chloro-8-(phenylthio)imidazo[1,2-b]pyridazine
SpectraBase Compound ID JSvMCHcLo40
InChI InChI=1S/C15H12ClN3S/c1-2-6-11-10-17-15-13(9-14(16)18-19(11)15)20-12-7-4-3-5-8-12/h2-5,7-10H,1,6H2
InChIKey ULXOKRPPAPLZHB-UHFFFAOYSA-N
Mol Weight 301.8 g/mol
Molecular Formula C15H12ClN3S
Exact Mass 301.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ICMjC56w9gK
Name 3-Allyl-6-chloro-8-(phenylthio)imidazo[1,2-b]pyridazine
Appearance Light-yellow gel
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.044046272 u
Formula C15H12ClN3S
GC Column HP 5 (10 m x 0.25 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C15H12ClN3S/c1-2-6-11-10-17-15-13(9-14(16)18-19(11)15)20-12-7-4-3-5-8-12/h2-5,7-10H,1,6H2
InChIKey ULXOKRPPAPLZHB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/chem.202200733
Molecular Weight 301.795 g/mol
Quality 171
Reported Formula C15H12ClN3S
SMILES C(CC1=CN=C2N1N=C(C=C2SC1=CC=CC=C1)Cl)=C
SPLASH splash10-0udi-0029000000-106b2a6ab75a72459937
Source of Spectrum QE-28-SM64-48d (DOI: 10.1002/chem.202200733)
Wiley ID 1900457